3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride

C19H25ClN2O — CID 90656709

IUPAC3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride
SMILESCl.Oc1cccc(CCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H24N2O.ClH/c22-19-10-4-6-17(16-19)7-5-11-20-12-14-21(15-13-20)18-8-2-1-3-9-18;/h1-4,6,8-10,16,22H,5,7,11-15H2;1H
InChIKeyPPOJMFWCWXKQAI-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.57
Rot. Bonds5

About 3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride

3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride (PubChem CID 90656709) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride
PubChem CID90656709
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride
SMILESCl.Oc1cccc(CCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H24N2O.ClH/c22-19-10-4-6-17(16-19)7-5-11-20-12-14-21(15-13-20)18-8-2-1-3-9-18;/h1-4,6,8-10,16,22H,5,7,11-15H2;1H
InChIKeyPPOJMFWCWXKQAI-UHFFFAOYSA-N
XLogP3.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxyimipramine
CID 108051
4-[Bis[4-(dimethylamino)phenyl]methyl]phenol
CID 221110
3-(4-Benzyl-piperazin-1-yl)-phenol
CID 10015867
2-[(1E)-N-(4-phenylpiperazin-1-yl)ethanimidoyl]phenol
CID 135492287
(R)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 44588498
US10934303, Example 20
CID 137348774
US10934303, Example 30
CID 137628682
7-((2-(4-Phenyl-piperazin-1-yl)-ethyl)-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-2-ol
CID 10178704
(+)-7-{[4-(4-Phenylpiperazin-1-yl)butyl]prop-2-ynylamino}-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10364677
(+)-7-[(4-(4-Phenylpiperazin-1-yl)butyl)(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22261332
(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24754542
3-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850462

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride?
The IUPAC name of 3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride (CID 90656709) is 3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride.
What is the SMILES notation for 3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride?
The canonical SMILES for 3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride is Cl.Oc1cccc(CCCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride?
The InChIKey is PPOJMFWCWXKQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c22-19-10-4-6-17(16-19)7-5-11-20-12-14-21(15-13-20)18-8-2-1-3-9-18;/h1-4,6,8-10,16,22H,5,7,11-15H2;1H.
What are the key properties of 3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride?
3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-phenylpiperazin-1-yl)propyl]phenol;hydrochloride is sourced from PubChem (CID 90656709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).